1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea

C21H29N7O4S — CID 58441166

IUPAC1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea
SMILESCOc1cc(N2CCc3nc(NC(=O)NCCC(=O)N4CCCCC4)sc3C2)nc(OC)n1
InChIInChI=1S/C21H29N7O4S/c1-31-17-12-16(24-20(25-17)32-2)28-11-7-14-15(13-28)33-21(23-14)26-19(30)22-8-6-18(29)27-9-4-3-5-10-27/h12H,3-11,13H2,1-2H3,(H2,22,23,26,30)
InChIKeyQIZPTEWSAJIMKO-UHFFFAOYSA-N
MW475.58 g/mol
LogP2.04
Rot. Bonds7

About 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea

1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea (PubChem CID 58441166) has the molecular formula C21H29N7O4S and a molecular weight of 475.58 g/mol. Its IUPAC name is 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea
PubChem CID58441166
Molecular FormulaC21H29N7O4S
Molecular Weight475.58 g/mol
Exact Mass475.20
IUPAC Name1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea
SMILESCOc1cc(N2CCc3nc(NC(=O)NCCC(=O)N4CCCCC4)sc3C2)nc(OC)n1
InChIInChI=1S/C21H29N7O4S/c1-31-17-12-16(24-20(25-17)32-2)28-11-7-14-15(13-28)33-21(23-14)26-19(30)22-8-6-18(29)27-9-4-3-5-10-27/h12H,3-11,13H2,1-2H3,(H2,22,23,26,30)
InChIKeyQIZPTEWSAJIMKO-UHFFFAOYSA-N
XLogP2.04
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea (CID 58441166) is 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea is COc1cc(N2CCc3nc(NC(=O)NCCC(=O)N4CCCCC4)sc3C2)nc(OC)n1.
What is the InChIKey of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The InChIKey is QIZPTEWSAJIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O4S/c1-31-17-12-16(24-20(25-17)32-2)28-11-7-14-15(13-28)33-21(23-14)26-19(30)22-8-6-18(29)27-9-4-3-5-10-27/h12H,3-11,13H2,1-2H3,(H2,22,23,26,30).
What are the key properties of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea has a molecular weight of 475.58 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 58441166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).